SCHEMBL708425

SCHEMBL708425

CCC(=O)N1CCC(CCCN2CCCC2)(c2cccnc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
OPRM1 P35372 1/20 0.41
EPHX2 P34913 2/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
CCR5 P51681 1/20 0.40
CHRNA7 P36544 2/20 0.39
OPRD1 P41143 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
P2RX7 Q99572 1/20 0.39
CCR1 P32246 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL709333 0.94 MEN1 (0.47) MEN1KMT2AOPRM1EPHX2ALDH1A1
SCHEMBL3441805 0.92 MEN1 (0.43) MEN1KMT2AOPRM1EPHX2ALDH1A1
SCHEMBL4294627 0.90 MEN1 (0.46) MEN1KMT2AEPHX2ALDH1A1LMNA
SCHEMBL701128 0.88 MEN1 (0.45) MEN1KMT2AEPHX2ALDH1A1LMNA
SCHEMBL707423 0.84 MEN1 (0.46) MEN1KMT2AOPRM1EPHX2ALDH1A1
SCHEMBL700251 0.84 CCR5 (0.57) LMNACCR5OPRD1
SCHEMBL4430198 0.82 MEN1 (0.43) MEN1KMT2AOPRM1EPHX2ALDH1A1
SCHEMBL4444361 0.82 MEN1 (0.42) MEN1KMT2AOPRM1EPHX2ALDH1A1
SCHEMBL710728 0.81 MEN1 (0.47) MEN1KMT2AOPRM1EPHX2ALDH1A1
SCHEMBL698464 0.81 MEN1 (0.46) MEN1KMT2AEPHX2ALDH1A1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
EP-2262791-A2 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-12-22 EP disclosed
US-20090264407-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
WO-2009124734-A2 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-10-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090264407-A1 Substituted Sulfonamide Compounds CNR1, SUCNR1, OPRL1 MEN1 3536/4885KMT2A 3631/4885OPRM1 20/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.